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Abstract
In this paper is presented a theoretical study of chemical reactivity on the formation of four proteinogenic amino acids: cysteine, aspartic acid, asparagine and threonine. According to a theoretical model based on three syntons: methylene, nitrene and carbon monoxide at low temperatures, aziridinone would be formed first. This one, with methylene and carbon monoxide forms further the precursors intermediates of these four proteinogenic amino acids. Finally, the precursors in reaction with water, a key component of the primary atmosphere, lead to amino acids specified above. The study is mainly based on quantum mechanical calculations, B88-LYP DFT. Methylaziridonil, aziridonilacetyl and ethylaziridonil radicals should be formed at low temperature, which finally in reaction with water will form cysteine, aspartic acid, asparagine and threonine.
Highlights
In previous papers [1, 2], we proposed a model for the formation of the first proteinogenic amino acids
There are mentioned in order the synthons, primary atmospheric components, proteinogenic amino acids which are taken into account, intermediates with neutral molecular structure and the intermediates with radical molecular structures involved in the formation of these four proteinogenic amino acids
Aziridinone is obtained starting from three synthones: methylene, nitrenes and carbon monoxide at low temperatures
Summary
In previous papers [1, 2], we proposed a model for the formation of the first proteinogenic amino acids. These syntons at low temperature, in nitrogen, form aziridinone This one, always with the three syntons whould form amino acids precursors with modified aziridinone structures. In more drastically thermodynamic conditions, reactions between precursors and primary atmospheric components would be produced These may involve transition states of high energy that would require more or less important activations. In a previous paper [18] we presented reactions involved in the formation of three proteinogenic amino acids with relatively simple structures: glycine, alanine and serine. This is a theoretical study of chemical reactivity in the two thermodynamic contexts previously suggested.
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